2-(ethylsulfanylmethylsulfanyl)ethanol

C5H12OS2 — CID 22572364

IUPAC2-(ethylsulfanylmethylsulfanyl)ethanol
SMILESCCSCSCCO
InChIInChI=1S/C5H12OS2/c1-2-7-5-8-4-3-6/h6H,2-5H2,1H3
InChIKeyAGAQIULZUHLBGA-UHFFFAOYSA-N
MW152.28 g/mol
LogP1.42
Rot. Bonds5

About 2-(ethylsulfanylmethylsulfanyl)ethanol

2-(ethylsulfanylmethylsulfanyl)ethanol (PubChem CID 22572364) has the molecular formula C5H12OS2 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2-(ethylsulfanylmethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(ethylsulfanylmethylsulfanyl)ethanol
PubChem CID22572364
Molecular FormulaC5H12OS2
Molecular Weight152.28 g/mol
Exact Mass152.03
IUPAC Name2-(ethylsulfanylmethylsulfanyl)ethanol
SMILESCCSCSCCO
InChIInChI=1S/C5H12OS2/c1-2-7-5-8-4-3-6/h6H,2-5H2,1H3
InChIKeyAGAQIULZUHLBGA-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethylsulfanyl)ethanol?
The IUPAC name of 2-(ethylsulfanylmethylsulfanyl)ethanol (CID 22572364) is 2-(ethylsulfanylmethylsulfanyl)ethanol.
What is the SMILES notation for 2-(ethylsulfanylmethylsulfanyl)ethanol?
The canonical SMILES for 2-(ethylsulfanylmethylsulfanyl)ethanol is CCSCSCCO.
What is the InChIKey of 2-(ethylsulfanylmethylsulfanyl)ethanol?
The InChIKey is AGAQIULZUHLBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS2/c1-2-7-5-8-4-3-6/h6H,2-5H2,1H3.
What are the key properties of 2-(ethylsulfanylmethylsulfanyl)ethanol?
2-(ethylsulfanylmethylsulfanyl)ethanol has a molecular weight of 152.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethylsulfanyl)ethanol is sourced from PubChem (CID 22572364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).